[(E)-[amino-(4-chlorophenyl)methylidene]amino] thiadiazole-4-carboxylate
Formula:C10H7N4O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-chlorophenyl)methylidene]amino] thiadiazole-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] thiadiazole-4-carboxylate |
| MolecularFormula | C10H7N4O2ClS |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(c1csnn1)=O |
| InChI | InChI=1S/C10H7ClN4O2S/c11-7-3-1-6(2-4-7)9(12)14-17-10(16)8-5-18-15-13-8/h1-5H,(H2,12,14) |
| InChIK | ZALOFTRFFMSPTE-UHFFFAOYSA-N |
| TotalMolweight | 282.711 |
| Molweight | 282.711 |
| MonoisotopicMass | 281.997823 |
| CLogP | 2.6629 |
| CLogS | -3.933 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 201.14 |
| Relative PSA | 0.45799 |
| PolarSurfaceArea | 118.7 |
| Druglikeness | -5.4399 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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